Brand  (β version)

PDB ID: 4DRQ

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Ligands
Code Name Style Show Link
0OS {3-[(1s)-1-[({(2s)-1-[(3,5-dichlorophenyl)sulfonyl]piperidin-2-yl}carbonyl)oxy]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid PoSSuM
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Structure summary

Code : 4DRQ   PDBj   RCSB PDB   PDBe
Header : ISOMERASE
Title : Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-1-((S)-1-(3,5-dichlorophenylsulfonyl)piperidine-2-carbonyloxy)-3-(3,4-dimethoxy -phenyl)propyl)phenoxy)acetic acid
Release Data : 2012-04-18
Compound :
mol_id molecule chains synonym
1 Peptidyl-prolyl cis-trans isomerase FKBP5 A PPIase FKBP5, 51 kDa FK506-binding protein, 51 kDa FKBP, FKBP-51, 54 kDa progesterone receptor-associated immunophilin, Androgen-regulated protein 6, FF1 antigen, FK506-binding protein 5, FKBP-5, FKBP54, p54, HSP90-binding immunophilin, Rotamase
ec: 5.2.1.8
fragment: UNP residues 16-140
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: AIG6, FKBP5, FKBP51
expression_system_strain: BL21(DE3) codon+ RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pProEx-HtB
Authors : Gopalakrishnan, R., Kozany, C., Wang, Y., Hoogeland, B., Bracher, A., Hausch, F., Schneider, S.
Keywords : Fk-506 binding domain, Hsp90 cochaperone, immunophilin, peptidyl-prolyl isomerase, ISOMERASE
Exp. method : X-RAY DIFFRACTION ( 1.0000 Å )
Citation :

Exploration of Pipecolate Sulfonamides as Binders of the FK506-Binding Proteins 51 and 52.

Gopalakrishnan, R.,Kozany, C.,Wang, Y.  et al.
(2012)  J.Med.Chem.  55 : 4123 - 4131

PubMed: 22455398
DOI: 10.1021/jm201747c

Reaction

Chain : A
UniProt : Q13451 (FKBP5_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
[protein]-peptidylproline (omega=180) = [protein]- peptidylproline (omega=0) 5.2.1.8 PubMed:11350175
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